1RH6

Bacteriophage Lambda Excisionase (Xis)-DNA Complex


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.5291NaOAc, imidazole, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Crystal Properties
Matthews coefficientSolvent content
2.652.38

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 80.215α = 90
b = 72.691β = 104.11
c = 38.801γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42002-03-07MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X8C1.10NSLSX8C

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.710093.10.050.0519.893.1321903324.125
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.71.7895.80.1350.1528.295.83280

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Cut-off Sigma (I)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMIRTHROUGHOUT1.7203321990116197.270.192930.192930.191170.22553RANDOM31.551
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
3.631.19-1.23-1.82
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.203
r_scangle_it4.492
r_scbond_it3.102
r_angle_refined_deg2.582
r_mcangle_it2.464
r_mcbond_it1.471
r_angle_other_deg1.202
r_symmetry_vdw_other0.42
r_symmetry_vdw_refined0.297
r_nbd_other0.25
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.203
r_scangle_it4.492
r_scbond_it3.102
r_angle_refined_deg2.582
r_mcangle_it2.464
r_mcbond_it1.471
r_angle_other_deg1.202
r_symmetry_vdw_other0.42
r_symmetry_vdw_refined0.297
r_nbd_other0.25
r_symmetry_hbond_refined0.247
r_xyhbond_nbd_refined0.238
r_nbd_refined0.223
r_chiral_restr0.138
r_nbtor_other0.092
r_bond_refined_d0.025
r_gen_planes_refined0.013
r_gen_planes_other0.009
r_bond_other_d0.002
r_dihedral_angle_2_deg
r_xyhbond_nbd_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms931
Nucleic Acid Atoms574
Solvent Atoms152
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
MLPHAREphasing